SpectraBase Compound ID | LMUkLCRdPNY |
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InChI | InChI=1S/C22H32N2O4/c1-5-28-22(27)17-7-6-8-18(13-17)23-21(26)19(14(2)3)24-20(25)16-11-9-15(4)10-12-16/h6-8,13-16,19H,5,9-12H2,1-4H3,(H,23,26)(H,24,25)/t15-,16-,19? |
InChIKey | DVMKCPDTYSPMIA-DBTMUERSSA-N |
Mol Weight | 388.5 g/mol |
Molecular Formula | C22H32N2O4 |
Exact Mass | 388.236208 g/mol |
SpectraBase Spectrum ID | HeW2QJc1nio |
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Name | benzoic acid, 3-[[3-methyl-2-[[(4-methylcyclohexyl)carbonyl]amino]-1-oxobutyl]amino]-, ethyl ester |
Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 388.236207514 u |
Formula | C22H32N2O4 |
InChI | InChI=1S/C22H32N2O4/c1-5-28-22(27)17-7-6-8-18(13-17)23-21(26)19(14(2)3)24-20(25)16-11-9-15(4)10-12-16/h6-8,13-16,19H,5,9-12H2,1-4H3,(H,23,26)(H,24,25)/t15-,16-,19? |
InChIKey | DVMKCPDTYSPMIA-DBTMUERSSA-N |
Molecular Weight | 388.508 g/mol |
NMR Offset | 18.0068 |
NMR Spectrometer Frequency | 500.134 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2021_4749 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/13288471 |